It's was best video of molecular docking studies for beginners but it would be more better we u use some further docking process. Like use of open Babel and all
WOW, thank you! But I'm wondering where does Machine Learning take place in the procedure? Is the docking softwares built using ML? I'm planning to use Machine Learning for my research work, so in that case I wouldn't need a software or what? I'd appreciate your answer.
This area completely deals with drug designing purpose. There are specified softwares like autodock, Schrodinger etc.. to do such works. Yup Machine learning becomes an important tool to make such advancements in research. We appreciate your interest in taking good step ahead towards Machine learning. All the best 😊
Receptors & ligands are often named with the protein ( receptor) labels only. So, if you identify or choose a protein you may identify the receptor from protein data bank. Eg. If progesterone is a ligand. It's receptor is identified as simply progesterone receptor which you can get details from pdb.
@Laiba Iqbal ya sure. We have totally 5 videos on molecular docking. You can go through the videos. Which will explain the concept of docking clearly. If any further doubts you are welcomed to clarify with us in the comment section below each video or you can reach by our mail. scienceauratech@gmail.com
ADT detects whether the ligand already has charges or not. Note: you must always add hydrogens to the ligand before you select it to be the ligand. standard set of the 20 commonly occurring amino acids. If all the residues are amino acids, ADT adds Kollman charges to the ligand.
Please find below some useful references: Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, Olson AJ (1998). "Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function". Journal of Computational Chemistry 19 (14): 1639-1662. • Morris RJ, Najmanovich RJ, Kahraman A, Thornton JM (May 2005). "Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons".Bioinformatics 21 (10): 2347-55. • Kahraman A, Morris RJ, Laskowski RA, Thornton JM (April 2007). "Shape variation in protein binding pockets and their ligands". J. Mol. Biol. 368 (1): 283-301. • Suresh PS, Kumar A, Kumar R, Singh VP (January 2008). "An in silico [correction of insilico] approach to bioremediation: laccase as a case study". J. Mol. Graph. Model. 26 (5): 845-9. • www.ncbi.nlm.nih.gov/pubmed/18446297
it is really helpful for introducing the fundamental molecule docking knowledge! thanks a lot.
A very good video on molecular docking, it's very helpful thank you very much.
Very helpful. Got idea to study this new SARs-CoV2 paper. And basics about docking topic. Thanks alot.
Pro, please tell me what things you use molecular docking for studying SAR-CoV2. I mean how molecular docking used for studying SAR-CoV2
Thank you sir ❤ really informative session
great explanation. thanks
very good information thank you sir
It's was best video of molecular docking studies for beginners but it would be more better we u use some further docking process. Like use of open Babel and all
So great so simplicity so good lecture 🙌 👌 😌 😊😊🎉 many thanks😊
very nice video🌸
thank you so much for this very interesting helpful video
Excellent explaination
Beautiful. Doing the lords work my bro
Thank you sir... Very simple and helpful explanation
You are welcome
Sir its the goood video for molecular docking 😇, its purely amazing
Thankyou
Thanks so much
Really helpful
Great video thanks alot
thank you sir😍
Sir which software is used to predict the anti-cancer compound ?
thank you so much prof
Thank you so much...really helpful
Thank you so much Sir! This video was very helpful 👍
WOW, thank you! But I'm wondering where does Machine Learning take place in the procedure? Is the docking softwares built using ML? I'm planning to use Machine Learning for my research work, so in that case I wouldn't need a software or what? I'd appreciate your answer.
This area completely deals with drug designing purpose. There are specified softwares like autodock, Schrodinger etc.. to do such works. Yup Machine learning becomes an important tool to make such advancements in research. We appreciate your interest in taking good step ahead towards Machine learning. All the best 😊
@@ScienceAura yes thank you :). But I mean at what stage of the drug design procedure Machine Learning steps in?
@@sumayyakamal8857 exactly!! At what stage??? Machine Learning will be a big boost in predicting and analysis!! I will always be interested in such
Well explained but a lot of grammar mistakes on the slides
thank you so much
Loved it
very interesting video, thank you you for sharing this content
just, i would like to know step by step docking made in this article; if possible ?
You may watch other videos on molecular docking in our youtube channel. Thankyou. Regards.
thank you bro very helpfull
Glad it helped
Sir, 1stly how to identify receptor and ligand???
Is there any method...for easily identification of protein n ligand??
Receptors & ligands are often named with the protein ( receptor) labels only. So, if you identify or choose a protein you may identify the receptor from protein data bank. Eg. If progesterone is a ligand. It's receptor is identified as simply progesterone receptor which you can get details from pdb.
@Laiba Iqbal ya sure. We have totally 5 videos on molecular docking. You can go through the videos. Which will explain the concept of docking clearly. If any further doubts you are welcomed to clarify with us in the comment section below each video or you can reach by our mail. scienceauratech@gmail.com
@Laiba Iqbal th-cam.com/play/PLZfTq7uaKrcZGb_oK_oQmCo9QDKbo3rq-.html
Molecular docking Playlist with other videos.
Why do we add Kollman charges?
ADT detects whether the ligand already has charges or not. Note: you must always add hydrogens to the ligand before you select it to be the ligand. standard set of the 20 commonly occurring amino acids. If all the residues are amino acids, ADT adds Kollman charges to the ligand.
thank you
Can i have the pdf please?
👌👌👌
Power point please?
Réfirance pls
Please find below some useful references:
Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, Olson AJ (1998). "Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function". Journal of Computational Chemistry 19 (14): 1639-1662. • Morris RJ, Najmanovich RJ, Kahraman A, Thornton JM (May 2005). "Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons".Bioinformatics 21 (10): 2347-55. • Kahraman A, Morris RJ, Laskowski RA, Thornton JM (April 2007). "Shape variation in protein binding pockets and their ligands". J. Mol. Biol. 368 (1): 283-301. • Suresh PS, Kumar A, Kumar R, Singh VP (January 2008). "An in silico [correction of insilico] approach to bioremediation: laccase as a case study". J. Mol. Graph. Model. 26 (5): 845-9. • www.ncbi.nlm.nih.gov/pubmed/18446297
Power point please?